1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

C23H29N3O4 — CID 55820823

IUPAC1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(OC(C)C)c2)cc1N1CCCCC1=O
InChIInChI=1S/C23H29N3O4/c1-16(2)30-19-8-6-7-17(13-19)15-24-23(28)25-18-10-11-21(29-3)20(14-18)26-12-5-4-9-22(26)27/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H2,24,25,28)
InChIKeyOBJJLYGVTQLHPM-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.32
Rot. Bonds7

About 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55820823) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID55820823
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(OC(C)C)c2)cc1N1CCCCC1=O
InChIInChI=1S/C23H29N3O4/c1-16(2)30-19-8-6-7-17(13-19)15-24-23(28)25-18-10-11-21(29-3)20(14-18)26-12-5-4-9-22(26)27/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H2,24,25,28)
InChIKeyOBJJLYGVTQLHPM-UHFFFAOYSA-N
XLogP4.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86873596
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 55743390
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55743484
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 55820823) is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is COc1ccc(NC(=O)NCc2cccc(OC(C)C)c2)cc1N1CCCCC1=O.
What is the InChIKey of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is OBJJLYGVTQLHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(2)30-19-8-6-7-17(13-19)15-24-23(28)25-18-10-11-21(29-3)20(14-18)26-12-5-4-9-22(26)27/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 411.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55820823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).